tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate

C18H30N4O3 — CID 136952738

IUPACtert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate
SMILESCc1nc(C)c(C(C)NC2CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]1
InChIInChI=1S/C18H30N4O3/c1-11-15(16(23)21-13(3)19-11)12(2)20-14-7-9-22(10-8-14)17(24)25-18(4,5)6/h12,14,20H,7-10H2,1-6H3,(H,19,21,23)
InChIKeyPKHUHNRTSIGASF-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.44
Rot. Bonds3

About tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate

tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 136952738) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate
PubChem CID136952738
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Nametert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate
SMILESCc1nc(C)c(C(C)NC2CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]1
InChIInChI=1S/C18H30N4O3/c1-11-15(16(23)21-13(3)19-11)12(2)20-14-7-9-22(10-8-14)17(24)25-18(4,5)6/h12,14,20H,7-10H2,1-6H3,(H,19,21,23)
InChIKeyPKHUHNRTSIGASF-UHFFFAOYSA-N
XLogP2.44
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-2,2-difluoropropyl]carbamate
CID 136952741
6-Acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796284
tert-Butyl 4-hydroxy-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
CID 135741587
tert-butyl 2,8,8-trimethyl-4-oxo-5,7-dihydro-3H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 136123305
tert-butyl 4-hydroxy-2,6-dimethyl-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
CID 136614157
tert-butyl 2-ethyl-5-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 137308007
tert-butyl 2,5-dimethyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 137308014
tert-butyl 5-ethyl-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 137308015
tert-butyl 2,5,7-trimethyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 137308016
Tert-butyl 2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate;methane;prop-1-en-2-amine
CID 144245599
tert-butyl 2-methyl-4-oxo-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepine-6-carboxylate
CID 155686697
Tert-butyl 2-ethyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate
CID 159533896

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate (CID 136952738) is tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate is Cc1nc(C)c(C(C)NC2CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]1.
What is the InChIKey of tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is PKHUHNRTSIGASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-11-15(16(23)21-13(3)19-11)12(2)20-14-7-9-22(10-8-14)17(24)25-18(4,5)6/h12,14,20H,7-10H2,1-6H3,(H,19,21,23).
What are the key properties of tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate?
tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 136952738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).